Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Induced myeloid leukemia cell differentiation protein Mcl-1' and Ligand = 'BDBM50159949'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50159949 (CHEMBL3787178 | US10093640, Example 216 | US108440...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C26H24Cl2N2O4S/c1-16-13-19(14-17(2)24(16)28)34-12-6-9-22-21-11-10-18(27)15-23(21)29-25(22)26(31)30-35(32,33)20-7-4-3-5-8-20/h3-5,7-8,10-11,13-15,29H,6,9,12H2,1-2H3,(H,30,31)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after...				J Med Chem 59: 2054-66 (2016) Article DOI: 10.1021/acs.jmedchem.5b01660 BindingDB Entry DOI: 10.7270/Q2F191MW
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50159949 (CHEMBL3787178 | US10093640, Example 216 | US108440...) Show SMILES Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl Show InChI InChI=1S/C26H24Cl2N2O4S/c1-16-13-19(14-17(2)24(16)28)34-12-6-9-22-21-11-10-18(27)15-23(21)29-25(22)26(31)30-35(32,33)20-7-4-3-5-8-20/h3-5,7-8,10-11,13-15,29H,6,9,12H2,1-2H3,(H,30,31)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...				US Patent US10093646 (2018) BindingDB Entry DOI: 10.7270/Q29P33PN
					More data for this Ligand-Target Pair